CID 16780333

3-[(2,4-difluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1C(CN1)CC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C10H11F2N/c11-9-2-1-8(10(12)4-9)3-7-5-13-6-7/h1-2,4,7,13H,3,5-6H2

InChIKey

AROGWOXHPFKLRV-UHFFFAOYSA-N

Compound name

3-[(2,4-difluorophenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 183.08595 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	184.093226	135.1
[M+Na]+	206.075168	142.4
[M-H]-	182.078674	136.5
[M+NH4]+	201.119773	146.9
[M+K]+	222.049108	141.3
[M+H-H2O]+	166.083210	121.9
[M+HCOO]-	228.084151	152.9
[M+CH3COO]-	242.099801	183.6
[M+Na-2H]-	204.060616	139.5
[M]+	183.08540142	138.5
[M]-	183.08649858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe